N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C27H34N4O2 — CID 24792989

IUPACN-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1C
InChIInChI=1S/C27H34N4O2/c1-21-19-23(11-12-25(21)33-2)20-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-13,16,19,24H,6,9-10,14-15,17-18,20H2,1-2H3,(H,29,32)
InChIKeySXWPJZVYZIDLIO-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.00
Rot. Bonds9

About N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24792989) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24792989
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1C
InChIInChI=1S/C27H34N4O2/c1-21-19-23(11-12-25(21)33-2)20-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-13,16,19,24H,6,9-10,14-15,17-18,20H2,1-2H3,(H,29,32)
InChIKeySXWPJZVYZIDLIO-UHFFFAOYSA-N
XLogP5.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24792989) is N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is COc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1C.
What is the InChIKey of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is SXWPJZVYZIDLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-21-19-23(11-12-25(21)33-2)20-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-13,16,19,24H,6,9-10,14-15,17-18,20H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 446.60 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24792989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).